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BioLiP

PDB CCD ID: A1IAX
Number of entries in BioLiP: 1
Chemical formula: C7 H6 N2 O4
InChI: InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)
InChIKey: JJPIVRWTAGQTPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)[N+](=O)[O-])N)C(=O)O
CACTVS 3.385Nc1c(cccc1[N+]([O-])=O)C(O)=O
Name:2-azanyl-3-nitro-benzoic acid;
2-amino-3-nitrobenzoic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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